N-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-3-(furan-3-ylmethyl)-4-oxoquinazoline-7-carboxamide

C29H26N4O3 — CID 44523909

IUPACN-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-3-(furan-3-ylmethyl)-4-oxoquinazoline-7-carboxamide
SMILESCN(C)Cc1cccc(-c2ccc(NC(=O)c3ccc4c(=O)n(Cc5ccoc5)cnc4c3)cc2)c1
InChIInChI=1S/C29H26N4O3/c1-32(2)16-20-4-3-5-23(14-20)22-6-9-25(10-7-22)31-28(34)24-8-11-26-27(15-24)30-19-33(29(26)35)17-21-12-13-36-18-21/h3-15,18-19H,16-17H2,1-2H3,(H,31,34)
InChIKeyREVDWLOOGXCZMC-UHFFFAOYSA-N
MW478.55 g/mol
LogP5.02
Rot. Bonds7

About N-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-3-(furan-3-ylmethyl)-4-oxoquinazoline-7-carboxamide

N-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-3-(furan-3-ylmethyl)-4-oxoquinazoline-7-carboxamide (PubChem CID 44523909) has the molecular formula C29H26N4O3 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-3-(furan-3-ylmethyl)-4-oxoquinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-3-(furan-3-ylmethyl)-4-oxoquinazoline-7-carboxamide
PubChem CID44523909
Molecular FormulaC29H26N4O3
Molecular Weight478.55 g/mol
Exact Mass478.20
IUPAC NameN-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-3-(furan-3-ylmethyl)-4-oxoquinazoline-7-carboxamide
SMILESCN(C)Cc1cccc(-c2ccc(NC(=O)c3ccc4c(=O)n(Cc5ccoc5)cnc4c3)cc2)c1
InChIInChI=1S/C29H26N4O3/c1-32(2)16-20-4-3-5-23(14-20)22-6-9-25(10-7-22)31-28(34)24-8-11-26-27(15-24)30-19-33(29(26)35)17-21-12-13-36-18-21/h3-15,18-19H,16-17H2,1-2H3,(H,31,34)
InChIKeyREVDWLOOGXCZMC-UHFFFAOYSA-N
XLogP5.02
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-bromophenyl)methyl]-4-oxo-N-(4-phenylmethoxyphenyl)quinazoline-7-carboxamide
CID 139779531
4-oxo-N-(4-phenylmethoxyphenyl)-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide
CID 139779480
3-[(3-phenylphenyl)methyl]quinazolin-4-one
CID 121275766
N-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide
CID 58574227
N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide
CID 84613744
3-(3-benzyl-4-oxoquinazolin-7-yl)-N-cyclopropyl-4-methylbenzamide
CID 11177317
3-benzyl-7-hydrazinylquinazolin-4-one
CID 69437236
3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide
CID 177345259
benzyl N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamate
CID 25157579
N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide
CID 87413146
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide
CID 172878812
6-(2-hydroxyacetyl)-3-[[3-(3-propan-2-ylphenyl)phenyl]methyl]quinazolin-4-one
CID 159750510

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-3-(furan-3-ylmethyl)-4-oxoquinazoline-7-carboxamide?
The IUPAC name of N-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-3-(furan-3-ylmethyl)-4-oxoquinazoline-7-carboxamide (CID 44523909) is N-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-3-(furan-3-ylmethyl)-4-oxoquinazoline-7-carboxamide.
What is the SMILES notation for N-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-3-(furan-3-ylmethyl)-4-oxoquinazoline-7-carboxamide?
The canonical SMILES for N-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-3-(furan-3-ylmethyl)-4-oxoquinazoline-7-carboxamide is CN(C)Cc1cccc(-c2ccc(NC(=O)c3ccc4c(=O)n(Cc5ccoc5)cnc4c3)cc2)c1.
What is the InChIKey of N-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-3-(furan-3-ylmethyl)-4-oxoquinazoline-7-carboxamide?
The InChIKey is REVDWLOOGXCZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O3/c1-32(2)16-20-4-3-5-23(14-20)22-6-9-25(10-7-22)31-28(34)24-8-11-26-27(15-24)30-19-33(29(26)35)17-21-12-13-36-18-21/h3-15,18-19H,16-17H2,1-2H3,(H,31,34).
What are the key properties of N-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-3-(furan-3-ylmethyl)-4-oxoquinazoline-7-carboxamide?
N-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-3-(furan-3-ylmethyl)-4-oxoquinazoline-7-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-3-(furan-3-ylmethyl)-4-oxoquinazoline-7-carboxamide is sourced from PubChem (CID 44523909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).